1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine

C15H22N2 — CID 81458806

IUPAC1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine
SMILESCC1CNCC1N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H22N2/c1-12-9-16-10-15(12)17-8-7-14(11-17)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3
InChIKeyLDHWXPFSKUBQPJ-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.08
Rot. Bonds2

About 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine

1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine (PubChem CID 81458806) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine.

Molecular Properties

Compound Name1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine
PubChem CID81458806
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine
SMILESCC1CNCC1N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H22N2/c1-12-9-16-10-15(12)17-8-7-14(11-17)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3
InChIKeyLDHWXPFSKUBQPJ-UHFFFAOYSA-N
XLogP2.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-phenylpyrrolidin-1-yl)cycloheptan-1-amine
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(3S)-1-cyclopentyl-3-phenylpyrrolidine
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3-methyl-1-(4-methylpyrrolidin-3-yl)piperidine
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2-(4-methylpyrrolidin-3-yl)isoindole-1,3-dione
CID 58030165
(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
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4-(4-methylpyrrolidin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine
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3-phenyl-1-propan-2-ylpyrrolidine
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3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine?
The IUPAC name of 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine (CID 81458806) is 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine.
What is the SMILES notation for 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine?
The canonical SMILES for 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine is CC1CNCC1N1CCC(c2ccccc2)C1.
What is the InChIKey of 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine?
The InChIKey is LDHWXPFSKUBQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-9-16-10-15(12)17-8-7-14(11-17)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3.
What are the key properties of 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine?
1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine has a molecular weight of 230.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine is sourced from PubChem (CID 81458806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).